Geometry & MOs

Info

ID:	424073
PubChem CID:	135121193
Reduced:	ClF2O3N5H10C18 (1)
Stoich.:	AB2C3D5E10F18 (1)
Weight, g/mol:	483.07213
ΔH_f, kcal/mol:	-49.03
Dipole, Da:	2.76
IP(EA), eV:	-9.77(-2.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-[4-(1,1-difluoroethyl)-1-[[3-(1,1-difluoroethyl)-6-oxo-3H-pyridazin-5-yl]methyl]-6-oxopyrimidin-5-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C=N1)CC2=CC(=C(F)F)N=NC2=O)OC3=CC(=CC(=C3)C#N)Cl

DOS

IR

Vibrations